(4-methoxycarbonylphenyl)methyl-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-propyl-azanium

Systemtic Name: (4-methoxycarbonylphenyl)methyl-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-propyl-azanium Openeye Name: (4-methoxycarbonylphenyl)methyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-propyl-ammonium CAS Name: (4-methoxycarbonylphenyl)methyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-propylammonium IUPAC Name: (4-methoxycarbonylphenyl)methyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-propylazanium Traditional Name: (4-carbomethoxybenzyl)-[(4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-propyl-ammonium Formula: C19H22N3O3S+ MolecularWeight: 372.46128

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1=CC=C(C=C1)C(=O)OC)CC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

CCC[NH+](CC1=CC=C(C=C1)C(=O)OC)CC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C19H21N3O3S/c1-3-9-22(11-13-4-6-14(7-5-13)19(24)25-2)12-16-20-15-8-10-26-17(15)18(23)21-16/h4-8,10H,3,9,11-12H2,1-2H3,(H,20,21,23)/p+1